3-(2-ethoxyethylsulfonyl)prop-1-ene

C7H14O3S — CID 173493471

IUPAC3-(2-ethoxyethylsulfonyl)prop-1-ene
SMILESC=CCS(=O)(=O)CCOCC
InChIInChI=1S/C7H14O3S/c1-3-6-11(8,9)7-5-10-4-2/h3H,1,4-7H2,2H3
InChIKeyVFKDXSYNOKQORI-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.62
Rot. Bonds6

About 3-(2-ethoxyethylsulfonyl)prop-1-ene

3-(2-ethoxyethylsulfonyl)prop-1-ene (PubChem CID 173493471) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 3-(2-ethoxyethylsulfonyl)prop-1-ene.

Molecular Properties

Compound Name3-(2-ethoxyethylsulfonyl)prop-1-ene
PubChem CID173493471
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name3-(2-ethoxyethylsulfonyl)prop-1-ene
SMILESC=CCS(=O)(=O)CCOCC
InChIInChI=1S/C7H14O3S/c1-3-6-11(8,9)7-5-10-4-2/h3H,1,4-7H2,2H3
InChIKeyVFKDXSYNOKQORI-UHFFFAOYSA-N
XLogP0.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethylsulfonyl)prop-1-ene?
The IUPAC name of 3-(2-ethoxyethylsulfonyl)prop-1-ene (CID 173493471) is 3-(2-ethoxyethylsulfonyl)prop-1-ene.
What is the SMILES notation for 3-(2-ethoxyethylsulfonyl)prop-1-ene?
The canonical SMILES for 3-(2-ethoxyethylsulfonyl)prop-1-ene is C=CCS(=O)(=O)CCOCC.
What is the InChIKey of 3-(2-ethoxyethylsulfonyl)prop-1-ene?
The InChIKey is VFKDXSYNOKQORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-3-6-11(8,9)7-5-10-4-2/h3H,1,4-7H2,2H3.
What are the key properties of 3-(2-ethoxyethylsulfonyl)prop-1-ene?
3-(2-ethoxyethylsulfonyl)prop-1-ene has a molecular weight of 178.25 g/mol, XLogP of 0.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethylsulfonyl)prop-1-ene is sourced from PubChem (CID 173493471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).